SCHEMBL3575874

SCHEMBL3575874

COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGA4 P13612 11/20 0.43
ITGB7 P26010 9/20 0.43
ITGB1 P05556 9/20 0.43
ACE P12821 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PTPN11 Q06124 1/20 0.40
PTPN1 P18031 2/20 0.39
KLK7 P49862 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4360033 0.88 PTPN11 (0.41) MEN1POLBKMT2AITGA4ITGB7
SCHEMBL1516635 0.82 PTPN11 (0.46) MEN1KMT2APTPN11ALDH1A1TSHR
SCHEMBL5060870 0.80 PTPN11 (0.46) MEN1POLBKMT2AITGA4ITGB7
SCHEMBL3561085 0.78 PTPN11 (0.44) MEN1POLBKMT2APTPN11ALDH1A1
SCHEMBL5067371 0.76 PTPN11 (0.46) MEN1KMT2AITGA4ITGB7ITGB1
SCHEMBL3568123 0.75 PTPN11 (0.48) PTPN11TSHR
SCHEMBL13010217 0.75 PTPN11 (0.55) MEN1KMT2APTPN11ALDH1A1TSHR
SCHEMBL1516754 0.75 PTPN11 (0.43) MEN1KMT2APTPN11ALDH1A1TSHR
SCHEMBL13342637 0.75 PTPN11 (0.51) MEN1POLBKMT2APTPN11ALDH1A1
SCHEMBL1516627 0.75 PTPN11 (0.47) MEN1KMT2APTPN11ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-7709645-B2 Pyrrolo-pyridine kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS SGX PHARMACEUTICALS, INC. (US) 2009-06-04 US disclosed
WO-2008124849-A2 PYRROLO-PYRIDINE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143352-A1 PYRROLO-PYRIDINE KINASE MODULATIORS MAP4K2, PDXK, MAP4K1 MEN1 3025/4885POLB 1562/4885KMT2A 1083/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.